2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanimidamide

C9H19N3O — CID 114949775

IUPAC2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanimidamide
SMILES[H]/N=C(\N)CN(C)CC1(O)CCCC1
InChIInChI=1S/C9H19N3O/c1-12(6-8(10)11)7-9(13)4-2-3-5-9/h13H,2-7H2,1H3,(H3,10,11)
InChIKeyNHOULUFYHNYDDG-UHFFFAOYSA-N
MW185.27 g/mol
LogP0.16
Rot. Bonds4

About 2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanimidamide

2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanimidamide (PubChem CID 114949775) has the molecular formula C9H19N3O and a molecular weight of 185.27 g/mol. Its IUPAC name is 2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanimidamide.

Molecular Properties

Compound Name2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanimidamide
PubChem CID114949775
Molecular FormulaC9H19N3O
Molecular Weight185.27 g/mol
Exact Mass185.15
IUPAC Name2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanimidamide
SMILES[H]/N=C(\N)CN(C)CC1(O)CCCC1
InChIInChI=1S/C9H19N3O/c1-12(6-8(10)11)7-9(13)4-2-3-5-9/h13H,2-7H2,1H3,(H3,10,11)
InChIKeyNHOULUFYHNYDDG-UHFFFAOYSA-N
XLogP0.16
TPSA73.34 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.27
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

3,3,3-Trifluoro-2-[[(1-hydroxycyclopentyl)methyl-methylamino]methyl]propanimidamide
CID 103370840
1-[[2-Aminoethyl(methyl)amino]methyl]cyclopentan-1-ol
CID 65213032
N'-hydroxy-2-[(1-hydroxycyclopentyl)methylamino]ethanimidamide
CID 77056282
N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanimidamide
CID 104985380
N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide
CID 104985382
N'-hydroxy-2-[(1-hydroxycyclopentyl)methyl-methylamino]propanimidamide
CID 104985384
N'-hydroxy-4-[(1-hydroxycyclopentyl)methyl-methylamino]butanimidamide
CID 104985385
N'-hydroxy-3-[(1-hydroxycyclopentyl)methyl-methylamino]-2-methylpropanimidamide
CID 104985387
N'-hydroxy-3-[(1-hydroxycyclopentyl)methyl-methylamino]propanimidamide
CID 104985388
6-[(1-Hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylhexanimidamide
CID 106712230
N'-hydroxy-5-[(1-hydroxycyclopentyl)methyl-methylamino]pentanimidamide
CID 113654631
5-[(1-Hydroxycyclopentyl)methyl-methylamino]-2,2-dimethylpentanimidamide
CID 113654635

Frequently Asked Questions

What is the IUPAC name of 2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanimidamide?
The IUPAC name of 2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanimidamide (CID 114949775) is 2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanimidamide.
What is the SMILES notation for 2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanimidamide?
The canonical SMILES for 2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanimidamide is [H]/N=C(\N)CN(C)CC1(O)CCCC1.
What is the InChIKey of 2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanimidamide?
The InChIKey is NHOULUFYHNYDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H19N3O/c1-12(6-8(10)11)7-9(13)4-2-3-5-9/h13H,2-7H2,1H3,(H3,10,11).
What are the key properties of 2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanimidamide?
2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanimidamide has a molecular weight of 185.27 g/mol, XLogP of 0.16, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-hydroxycyclopentyl)methyl-methylamino]ethanimidamide is sourced from PubChem (CID 114949775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).